Session details

Experiment ID: 2632

Elemental composition: ['C', 'H', 'N', 'O']

Temperature: 4.0 K

Peak statistics

Peak detection threshold (in signal units) was set to 6.

Interactive spectrum overview

Assignments

frequency intensity formula name catalog_frequency deviation ustate_energy source
0 6385.0750 23.190 c10h6 phenyldiacetylene 6385.0756 0.001 0.92 Catalog
1 6433.1518 6.665 cxhy umol-1999 6433.1314 -0.020 0.89 Catalog
2 6505.8283 15.215 c7h6 2-ethynylfulvene 6505.8258 -0.002 0.54 Catalog
3 6531.5178 80.058 c10h6 phenyldiacetylene 6531.5193 0.002 0.76 Catalog
4 6534.0048 26.275 c7h6 fulvenallene 6534.0015 -0.003 0.54 Catalog
5 6538.5237 13.862 c5h2 c5h2_ring-chain 6538.5143 -0.009 0.22 Catalog
6 6543.7265 34.701 c10h6 phenyldiacetylene 6543.7208 -0.006 1.45 Catalog
7 6557.7767 57.088 c10h6 phenyldiacetylene 6557.7739 -0.003 1.45 Catalog
8 6647.3117 6.115 c8h6 phenylacetylene_ve3 6647.2228 -0.089 1.13 Catalog
9 6699.6158 37.853 c10h6 phenyldiacetylene 6699.6119 -0.004 0.95 Catalog
10 6825.0322 7.537 c7h6 1-ethynylfulvene 6824.9924 -0.040 0.34 Catalog
11 6826.2047 38.957 c7h6 2-ethynylfulvene 6826.1999 -0.005 0.34 Catalog
12 6844.3848 43.280 c7h6 1-ethynylfulvene 6844.3823 -0.003 0.34 Catalog
13 6858.3541 107.426 c7h6 fulvenallene 6858.3537 -0.000 0.34 Catalog
14 6865.1117 20.866 c7h6 fulvenallene_ve1 6865.1045 -0.007 0.34 Catalog
15 6943.9144 25.399 c6h6 syn_c6h6 6943.9137 -0.001 0.61 Catalog
16 7035.8049 8.393 cxhy umol-1850 7035.9277 0.123 0.82 Catalog
17 7157.6504 12.791 c5h c5h 7157.6645 0.014 0.32 Catalog
18 7167.3235 12.082 c7h6 1-ethynylfulvene 7167.3300 0.006 0.58 Catalog
19 7171.9386 29.527 c7h6 2-ethynylfulvene 7171.9339 -0.005 0.58 Catalog
20 7186.7240 28.239 c7h6 1-ethynylfulvene 7186.7199 -0.004 0.58 Catalog
21 7209.1164 32.854 c7h6 fulvenallene 7209.1142 -0.002 0.58 Catalog
22 7216.3630 7.654 c7h6 fulvenallene_ve1 7216.3217 -0.041 0.58 Catalog
23 7220.7823 6.806 c6h4 ethynylpentene 7220.7399 -0.042 1.14 Catalog
24 7275.8306 35.781 c6h6 syn_c6h6 7275.8244 -0.006 0.36 Catalog
25 7285.5043 12.714 c7h4 allene_diacetylene 7285.5294 0.025 1.10 Catalog
26 7307.4321 20.734 c6h4 ethynylpentene 7307.4336 0.002 0.61 Catalog
27 7383.5322 24.594 c7h4 allene_diacetylene 7383.5346 0.002 0.62 Catalog
28 7447.7889 56.669 c10h6 phenyldiacetylene 7447.7863 -0.003 1.17 Catalog
399 7483.9110 9.390 c7h4 allene_diacetylene 7483.9421 0.031 1.12 Catalog
29 7497.8065 9.230 c12h6 phenyltriacetylene 7497.8962 0.090 1.88 Catalog
30 7614.0531 133.419 c10h6 phenyldiacetylene 7614.0504 -0.003 1.02 Catalog
31 7630.4584 7.987 c6h6 syn_c6h6 7630.5148 0.056 0.64 Catalog
32 7655.7691 55.895 c10h6 phenyldiacetylene 7655.7719 0.003 1.70 Catalog
33 7705.7646 17.239 c8h6 phenylacetylene 7705.7598 -0.005 0.66 Catalog
34 7711.0051 28.210 c8h6 phenylacetylene_ve1 7710.9989 -0.006 0.66 Catalog
35 7778.3962 12.833 c7h5n benzonitrile_ve1 7778.4838 0.088 0.66 Catalog
36 7782.4196 12.575 c7h4 methyltriacetylene 7782.4482 0.029 0.78 Catalog
37 7814.6316 49.095 c10h6 phenyldiacetylene 7814.6283 -0.003 1.21 Catalog
38 7869.2643 7.519 c7h c7h 7869.4285 0.164 0.70 Catalog
39 7871.2782 6.054 c8h7n benzylcyanide 7871.2306 -0.048 0.64 Catalog
40 7924.8486 7.026 c8h4 vinyl_triacetylene 7924.8884 0.040 1.06 Catalog
41 7946.9627 7.766 c8h7n benzylcyanide 7947.1695 0.207 6.47 Catalog
42 7985.8358 6.705 c6h4 vinyl diacetylene 7985.7085 -0.127 1.84 Catalog
43 8053.7007 120.875 c6h4 vinyl diacetylene 8053.7019 0.001 0.54 Catalog
44 8073.1958 14.487 c6h4 o-benzyne 8073.1768 -0.019 1.10 Catalog
45 8075.5690 67.414 c6h6o ortho-c6h6o 8075.5668 -0.002 0.50 Catalog
46 8089.9071 7.696 cxhy umol-1850 8089.9038 -0.003 1.18 Catalog
47 8124.9999 304.500 Artifact 8125.0000 0.000 0.00 Artifact
48 8131.1778 62.882 c8h6 phenylacetylene 8131.1787 0.001 0.54 Catalog
49 8134.0862 8.874 c8h6 phenylacetylene_ve3 8134.0954 0.009 0.54 Catalog
50 8135.8032 53.005 c8h6 phenylacetylene_ve1 8135.8011 -0.002 0.54 Catalog
51 8140.4138 16.903 c8h6 phenylacetylene_ve2 8140.3994 -0.014 0.54 Catalog
52 8142.9670 64.725 c5h4 methyldiacetylene 8142.9858 0.019 0.41 Catalog
53 8153.5225 8.380 c5h4 methyldiacetylene_1v12 8153.4632 -0.059 0.41 Catalog
54 8154.7961 11.540 c5h4 methyldiacetylene_ve2 8154.8069 0.011 0.00 Line file
55 8156.3312 8.177 c5h4 methyldiacetylene_1v12 8156.3720 0.041 0.41 Catalog
56 8204.0074 11.607 c8h6 phenylacetylene 8204.0639 0.057 1.12 Catalog
57 8208.7794 11.752 c8h6 phenylacetylene_ve1 8208.7896 0.010 1.12 Catalog
58 8218.8971 29.166 c6h6 anti_c6h6 8218.9007 0.004 1.39 Catalog
59 8276.9699 39.132 c8h6 phenylacetylene 8276.9722 0.002 1.13 Catalog
60 8281.8217 13.400 c8h6 phenylacetylene_ve1 8281.8024 -0.019 1.12 Catalog
61 8326.8460 56.799 c6h6 anti_c6h6 8326.8373 -0.009 0.56 Catalog
62 8436.0092 30.485 c6h6 anti_c6h6 8436.0122 0.003 1.41 Catalog
63 8459.9613 12.109 c7h6 1-ethynylfulvene 8459.9439 -0.017 1.42 Catalog
64 8509.8414 84.496 c10h6 phenyldiacetylene 8509.8455 0.004 1.45 Catalog
65 8676.9254 11.640 c7h6 z_heptenediyne_1 8676.9241 -0.001 0.99 Catalog
66 8679.4614 75.103 c8h6 phenylacetylene 8679.4647 0.003 0.72 Catalog
67 8681.6552 7.694 c8h6 phenylacetylene_ve3 8681.6536 -0.002 0.72 Catalog
68 8683.6527 59.634 c8h6 phenylacetylene_ve1 8683.6443 -0.008 0.72 Catalog
69 8687.8898 7.611 c8h6 phenylacetylene_ve2 8687.8769 -0.013 0.72 Catalog
70 8693.8324 33.017 c10h6 phenyldiacetylene 8693.8335 0.001 1.31 Catalog
71 8722.4639 26.061 c10h6 phenyldiacetylene 8722.4558 -0.008 1.99 Catalog
72 8731.9632 6.023 c10h6 phenyldiacetylene 8731.8886 -0.075 2.85 Catalog
73 8756.0423 51.922 c10h6 phenyldiacetylene 8756.0468 0.004 2.00 Catalog
74 8764.0037 8.350 c5h3n trans_cyanovinylacetylene 8764.2230 0.219 2.08 Catalog
75 8770.0320 8.006 c7h5n benzonitrile 8770.1669 0.135 0.73 Catalog
76 8772.8424 81.198 c7h5n benzonitrile_ve1 8772.7642 -0.078 0.73 Catalog
400 8773.8660 12.523 c7h5n benzonitrile_ve1 8773.8750 0.009 0.73 Catalog
77 8854.8482 26.588 c6h4 ethynylbutene 8854.8456 -0.003 0.59 Catalog
78 8925.7669 14.591 c7h6 z_heptenediyne_1 8925.7689 0.002 0.74 Catalog
79 8928.8876 46.489 c10h6 phenyldiacetylene 8928.8855 -0.002 1.51 Catalog
80 8931.9203 23.928 c4h2 h2c4_cumulene 8931.9144 -0.006 0.30 Catalog
81 9025.7229 9.174 c6h4 ethynylpentene 9025.7469 0.024 1.44 Catalog
82 9074.7028 112.033 c4h4 vinyl_acetylene 9074.7083 0.005 0.30 Catalog
83 9097.0320 13.345 c3hn hc3n 9097.0361 0.004 0.30 Catalog
84 9098.2793 13.288 c3hn hc3n 9098.3317 0.052 0.30 Catalog
85 9106.6602 16.225 c7h4 allene_diacetylene 9106.6574 -0.003 1.40 Catalog
86 9133.6068 22.518 c6h4 ethynylpentene 9133.6086 0.002 0.91 Catalog
87 9160.1079 7.859 c6h3n cyanoacetylenallene 9159.9366 -0.171 1.40 Catalog
88 9161.9951 6.305 c5h2 h2c5_cumulene 9162.0115 0.016 9.64 Catalog
89 9181.1293 7.887 c5h2 h2c5_cumulene 9181.1753 0.046 0.46 Catalog
401 9200.0000 9.116 c5h2 h2c5_cumulene 9199.9698 -0.030 9.64 Catalog
402 9200.8880 9.442 c7h6 z_heptenediyne_1 9200.9171 0.029 1.03 Catalog
90 9228.4581 41.183 c7h4 allene_diacetylene 9228.4526 -0.006 0.92 Catalog
91 9325.8104 76.823 c3h2o hcccho 9325.8086 -0.002 0.31 Catalog
92 9354.6442 14.854 c7h4 allene_diacetylene 9354.6595 0.015 1.43 Catalog
93 9369.3799 13.873 cxhy umol-1850 9369.3731 -0.007 1.41 Catalog
94 9468.5826 7.364 c7h6 1-ethynylfulvene 9468.7262 0.144 2.02 Catalog
95 9484.0820 8.373 c3h4n vinylcyanide 9484.0840 0.002 0.32 Catalog
96 9485.2897 6.968 c3h4n vinylcyanide 9485.2225 -0.067 0.32 Catalog
97 9493.0590 8.107 c4h c4h 9493.0624 0.003 0.32 Catalog
98 9497.6133 62.289 c4h c4h 9497.6172 0.004 0.32 Catalog
99 9547.9648 26.467 c4h c4h 9547.9623 -0.003 0.32 Catalog
100 9571.1779 22.949 c10h6 phenyldiacetylene 9571.1787 0.001 1.77 Catalog
101 9621.7708 41.078 c3o c3o 9621.7696 -0.001 0.32 Catalog
102 9750.9527 11.902 c7h6 2-ethynylfulvene 9750.9508 -0.002 0.87 Catalog
103 9770.5749 15.102 c10h6 phenyldiacetylene 9770.5292 -0.046 1.63 Catalog
104 9782.3045 35.390 c7h6 1-ethynylfulvene 9782.2999 -0.005 0.88 Catalog
105 9792.8903 75.928 c7h6 fulvenallene 9792.8952 0.005 0.87 Catalog
106 9802.7715 10.776 c7h6 fulvenallene_ve1 9802.5971 -0.174 0.87 Catalog
107 9811.0629 20.277 c10h6 phenyldiacetylene 9811.0522 -0.011 2.32 Catalog
108 9814.5473 11.050 c6h6o para-c6h6o 9814.5255 -0.022 0.59 Catalog
109 9821.9376 9.153 c10h6 phenyldiacetylene 9821.9686 0.031 4.37 Catalog
110 9854.4037 24.096 c5h4 ethynylallene 9854.4100 0.006 1.28 Catalog
111 9858.8657 51.019 c10h6 phenyldiacetylene 9858.8703 0.005 2.33 Catalog
112 9882.2759 8.106 c6h6o ortho-c6h6o 9882.2195 -0.056 0.59 Catalog
113 9923.2293 19.681 c7h6 1-ethynylfulvene 9923.2324 0.003 0.33 Catalog
114 10042.2532 40.709 c10h6 phenyldiacetylene 10042.2552 0.002 1.85 Catalog
115 10056.5333 54.492 c5h4 ethynylallene 10056.5330 -0.000 0.50 Catalog
116 10130.0981 23.198 c6h4 o-benzyne 10130.1020 0.004 0.34 Catalog
117 10151.9856 7.408 c4hn hc4n_lc 10152.0014 0.016 1.00 Catalog
118 10207.6887 33.926 c7h6 2-ethynylfulvene 10207.6946 0.006 0.68 Catalog
119 10236.0244 71.195 c7h6 1-ethynylfulvene 10236.0225 -0.002 0.68 Catalog
120 10254.5404 68.647 c7h6 fulvenallene 10254.6216 0.081 0.69 Catalog
403 10258.3110 6.850 c7h6 2-ethynylfulvene 10258.2715 -0.039 1.56 Catalog
404 10259.1110 6.948 c8h6 phenylacetylene_ve3 10259.0973 -0.014 1.00 Catalog
121 10261.3775 35.924 c8h6 phenylacetylene_ve1 10261.3835 0.006 1.00 Catalog
405 10262.0440 15.061 c5h4 ethynylallene 10261.9969 -0.047 1.30 Catalog
122 10264.5661 6.814 c7h6 fulvenallene_ve1 10264.4792 -0.087 0.69 Catalog
123 10307.2813 28.408 c7h6 fulvenallene 10307.2800 -0.001 1.55 Catalog
124 10308.9218 18.332 c7h6 2-ethynylfulvene 10308.9098 -0.012 1.56 Catalog
125 10333.8440 14.105 c7h6 1-ethynylfulvene 10333.8510 0.007 1.58 Catalog
126 10360.0089 16.957 c7h6 fulvenallene 10360.0105 0.002 1.55 Catalog
127 10379.8958 8.087 c6hn hc6n_rc 10379.8607 -0.035 2.13 Catalog
128 10408.8566 53.166 c6h6 syn_c6h6 10408.8634 0.007 0.95 Catalog
129 10532.4358 8.219 cxhy umol-1850 10532.5600 0.124 1.76 Catalog
130 10596.0497 9.269 c5h2o hc4cho 10596.0147 -0.035 0.88 Catalog
131 10631.7196 90.069 c10h6 phenyldiacetylene 10631.7185 -0.001 2.12 Catalog
132 10647.5394 15.825 c6h4 vinyl diacetylene 10647.5553 0.016 2.19 Catalog
133 10650.6449 14.868 c5hn hc5n 10650.6855 0.041 0.89 Catalog
134 10738.0690 92.421 c6h4 vinyl diacetylene 10738.0722 0.003 0.90 Catalog
135 10749.8126 49.712 c7h6 2-ethynylfulvene 10749.8105 -0.002 0.94 Catalog
136 10758.9567 127.992 c8h6 phenylacetylene 10758.9583 0.002 0.90 Catalog
137 10763.0096 9.035 c8h6 phenylacetylene_ve3 10762.9531 -0.056 0.90 Catalog
138 10765.0210 40.034 c8h6 phenylacetylene_ve1 10765.0166 -0.004 0.90 Catalog
139 10771.0735 8.036 c8h6 phenylacetylene_ve2 10771.0388 -0.035 0.90 Catalog
140 10772.2619 17.312 c7h6 1-ethynylfulvene 10772.2634 0.001 0.94 Catalog
141 10805.2368 63.679 c7h6 fulvenallene 10805.2404 0.004 0.94 Catalog
142 10815.9937 18.447 c7h6 fulvenallene_ve1 10815.9817 -0.012 0.94 Catalog
143 10829.7014 14.979 c6h4 vinyl diacetylene 10829.7035 0.002 2.21 Catalog
406 10843.1110 9.215 c7h6 z_heptenediyne_1 10843.1376 0.027 1.35 Catalog
144 10843.8361 89.213 c10h6 phenyldiacetylene 10843.8360 -0.000 1.99 Catalog
145 10855.2361 42.655 c7h5n benzonitrile 10855.2606 0.025 0.91 Catalog
146 10861.0194 15.645 c7h5n benzonitrile_ve1 10861.0489 0.030 0.91 Catalog
147 10885.4247 53.827 c6h6 syn_c6h6 10885.4198 -0.005 0.73 Catalog
148 10895.3814 8.242 c7h4 methyltriacetylene 10895.4206 0.039 1.45 Catalog
149 10899.1148 10.613 c10h6 phenyldiacetylene 10899.0460 -0.069 2.68 Catalog
150 10914.1537 12.386 c10h6 phenyldiacetylene 10914.1487 -0.005 4.74 Catalog
151 10917.4394 6.871 c10h6 phenyldiacetylene 10917.4217 -0.018 3.54 Catalog
152 10918.9250 10.314 c10h6 phenyldiacetylene 10918.9460 0.021 3.54 Catalog
153 10924.4869 80.735 c8h6 phenylacetylene 10924.4862 -0.001 1.49 Catalog
154 10927.8095 18.044 c7h4 allene_diacetylene 10927.6170 -0.193 1.77 Catalog
407 10928.2660 12.748 c8h6 phenylacetylene_ve3 10928.2657 -0.000 1.49 Catalog
155 10930.7917 33.367 c8h6 phenylacetylene_ve1 10930.7669 -0.025 1.49 Catalog
156 10958.3440 45.781 c6h6 anti_c6h6 10958.3432 -0.001 1.76 Catalog
408 10959.3800 14.302 c6h4 ethynylpentene 10959.3281 -0.052 1.28 Catalog
157 10964.4722 17.065 c10h6 phenyldiacetylene 10964.4756 0.003 2.69 Catalog
409 10978.9300 8.527 c5h2 c5h2_bent-chain 10978.9561 0.026 0.55 Catalog
410 10979.7300 7.273 c8h6 phenylacetylene_ve1 10979.8367 0.107 2.20 Catalog
158 11030.1378 6.996 c7h5n benzonitrile 11030.1538 0.016 1.49 Catalog
159 11072.7287 16.967 c7h4 allene_diacetylene 11072.7276 -0.001 1.29 Catalog
160 11093.1758 9.164 c6h4 ethynylpentene 11093.1904 0.015 1.83 Catalog
161 11101.7131 113.003 c6h6 anti_c6h6 11101.7128 -0.000 0.93 Catalog
162 11104.2852 31.529 c8h6 phenylacetylene 11104.2866 0.001 1.50 Catalog
163 11110.8032 8.986 c8h6 phenylacetylene_ve1 11110.8134 0.010 1.49 Catalog
164 11144.9267 21.850 c7h6 z_heptenediyne_1 11144.9247 -0.002 1.12 Catalog
165 11154.6016 58.956 c10h6 phenyldiacetylene 11154.6011 -0.001 2.22 Catalog
166 11174.0897 6.621 c7h6 z_heptenediyne_1 11174.2005 0.111 2.16 Catalog
167 11225.1977 13.619 c7h4 allene_diacetylene 11225.1970 -0.001 1.80 Catalog
168 11247.8187 54.775 c6h6 anti_c6h6 11247.8204 0.002 1.78 Catalog
169 11298.4617 15.621 c5h2 c5h2_ring-chain 11298.4728 0.011 1.69 Catalog
170 11369.1191 9.241 c7h c7h 11369.0668 -0.052 1.40 Catalog
171 11438.5117 17.942 c6h6 syn_c6h6 11438.5051 -0.007 1.02 Catalog
411 11548.0000 8.370 c6h4 o-benzyne 11548.0224 0.022 1.23 Catalog
172 11549.6787 114.918 c8h6 phenylacetylene 11549.6815 0.003 1.11 Catalog
412 11550.4900 7.134 cxhy umol-1850 11550.5226 0.033 2.22 Catalog
173 11552.6349 15.231 c8h6 phenylacetylene_ve3 11552.6311 -0.004 1.11 Catalog
174 11555.2267 153.151 c8h6 phenylacetylene_ve1 11555.2192 -0.007 1.11 Catalog
175 11560.8121 15.422 c8h6 phenylacetylene_ve2 11560.8237 0.012 1.11 Catalog
176 11592.0523 14.532 c6h6 fulvene 11592.0532 0.001 0.75 Catalog
177 11669.0350 15.310 c7h5n benzonitrile 11668.9937 -0.041 1.12 Catalog
178 11674.0227 11.406 c7h5n benzonitrile_ve1 11674.0950 0.072 1.12 Catalog
179 11691.3991 32.905 c10h6 phenyldiacetylene 11691.4051 0.006 2.51 Catalog
180 11803.7402 18.037 c6h4 ethynylbutene 11803.7361 -0.004 0.98 Catalog
181 11906.9900 7.144 c5h4o cyclopentadienone 11906.9351 -0.055 0.76 Catalog
182 11913.5029 77.470 c10h6 phenyldiacetylene 11913.5037 0.001 2.39 Catalog
183 11932.4791 66.180 c5h c5h 11932.4713 -0.008 0.72 Catalog
184 11933.9238 22.896 c5h c5h 11933.9216 -0.002 0.72 Catalog
185 11936.4723 72.005 c7h6 1-ethynylfulvene 11936.4225 -0.050 11.61 Catalog
186 11938.3306 26.962 c5h c5h 11938.3248 -0.006 0.72 Catalog
187 11951.0288 17.455 c6h6o para-c6h6o 11951.0294 0.001 0.90 Catalog
188 11986.3752 19.322 c10h6 phenyldiacetylene 11986.3709 -0.004 3.08 Catalog
189 11996.4424 87.305 c6h6o ortho-c6h6o 11996.4426 0.000 0.90 Catalog
190 12006.6181 7.456 c10h6 phenyldiacetylene 12006.5997 -0.018 5.14 Catalog
191 12010.7145 8.793 c10h6 phenyldiacetylene 12010.7064 -0.008 3.94 Catalog
192 12013.2136 8.883 c10h6 phenyldiacetylene 12013.1810 -0.033 3.94 Catalog
193 12040.7455 7.861 c6h4 ethynylbutene 12040.7421 -0.003 1.59 Catalog
194 12073.1382 12.411 c10h6 phenyldiacetylene 12073.0443 -0.094 3.09 Catalog
195 12214.4237 246.070 c5h4 methyldiacetylene 12214.4741 0.050 0.81 Catalog
196 12215.9025 9.969 c5h4 methyldiacetylene_1v11 12215.8905 -0.012 0.81 Catalog
197 12217.6849 11.090 c5h4 methyldiacetylene_ve1 12217.5977 -0.087 0.82 Catalog
198 12219.9151 11.718 c5h4 methyldiacetylene_1v11 12219.9227 0.008 0.82 Catalog
199 12230.1939 16.223 c5h4 methyldiacetylene_1v12 12230.1897 -0.004 0.82 Catalog
200 12232.2401 14.493 c5h4 methyldiacetylene_ve2 12232.2075 -0.033 0.00 Line file
201 12234.5527 16.498 c5h4 methyldiacetylene_1v12 12234.5529 0.000 0.82 Catalog
202 12235.7137 9.239 c5h4 methyldiacetylene_ve3 12235.6884 -0.025 0.00 Line file
203 12239.0052 8.173 c5h4 methyldiacetylene_1v13 12238.8061 -0.199 0.82 Catalog
204 12265.7816 17.652 c10h6 phenyldiacetylene 12265.7781 -0.003 2.63 Catalog
205 12451.8455 12.528 c7h4 methyltriacetylene 12451.9043 0.059 1.87 Catalog
414 12475.9110 13.628 c6h c6h 12475.8883 -0.023 -0.17 Catalog
413 12476.4440 14.628 c6h c6h 12476.4479 0.004 -0.17 Catalog
206 12581.8719 14.462 c6h6 fulvene 12581.8469 -0.025 0.63 Catalog
207 12635.3577 7.830 c6h4 ethynylpentene 12635.3841 0.026 2.22 Catalog
208 12669.4866 29.305 c6h6o para-c6h6o 12669.4745 -0.012 0.86 Catalog
209 12706.2282 76.620 c9h5n phenylcyanoacetylene 12706.2739 0.046 2.93 Catalog
210 12748.3754 11.239 c7h4 allene_diacetylene 12748.3756 0.000 2.19 Catalog
211 12750.1888 32.385 c10h6 phenyldiacetylene 12750.1871 -0.002 2.94 Catalog
212 12765.6733 15.896 c5h2 c5h2_ring-chain 12765.6652 -0.008 1.69 Catalog
213 12784.6196 8.301 c6h4 ethynylpentene 12784.5015 -0.118 1.71 Catalog
214 12787.8566 38.480 c8h6 phenylacetylene 12787.8473 -0.009 1.43 Catalog
215 12796.5128 46.915 c8h6 phenylacetylene_ve1 12796.5128 -0.000 1.43 Catalog
216 12836.3260 9.030 c5h6o 3_penten_1_yne_0+ 12836.3650 0.039 0.93 Catalog
217 12837.5187 7.008 c5h6o 3_penten_1_yne_0- 12837.4649 -0.054 0.93 Catalog
218 12916.2188 17.690 c7h4 allene_diacetylene 12916.2316 0.013 1.72 Catalog
219 12939.4360 9.279 c5h4o cyclopentadienone 12939.3315 -0.105 0.65 Catalog
220 12941.7196 6.020 c6h4 ethynylpentene 12941.6806 -0.039 2.26 Catalog
221 12943.5724 6.420 c5h4o cyclopentadienone_ve1 12943.6680 0.096 0.65 Catalog
222 12979.3436 34.416 c10h6 phenyldiacetylene 12979.3467 0.003 2.83 Catalog
223 12987.1563 55.822 c7h6 2-ethynylfulvene 12987.1476 -0.009 1.30 Catalog
224 13021.5652 12.970 c7h6 1-ethynylfulvene 13021.4615 -0.104 0.55 Catalog
225 13029.3955 23.498 c7h6 1-ethynylfulvene 13029.4047 0.009 1.31 Catalog
226 13042.5123 50.558 c7h6 fulvenallene 13042.5066 -0.006 1.30 Catalog
227 13055.3182 19.246 c7h6 fulvenallene_ve1 13055.3279 0.010 1.30 Catalog
228 13072.9594 25.537 c10h6 phenyldiacetylene 13072.9615 0.002 3.52 Catalog
229 13074.7032 36.791 c5h2 c5h2_ring-chain 13074.7056 0.002 0.65 Catalog
230 13083.6730 18.686 c6h4 cis-hex-ene-diyene 13083.7335 0.061 1.08 Catalog
231 13095.5761 8.716 c7h4 allene_diacetylene 13095.5177 -0.058 2.24 Catalog
232 13104.3477 6.208 c10h6 phenyldiacetylene 13104.3406 -0.007 4.38 Catalog
233 13116.4604 18.046 c7h c7h 13116.4144 -0.046 1.84 Catalog
234 13118.1071 18.336 c7h c7h 13118.0431 -0.064 1.84 Catalog
235 13179.0813 15.551 c6h8 cylcohexadiene 13179.0769 -0.004 0.70 Catalog
236 13184.6952 37.109 c10h6 phenyldiacetylene 13184.6926 -0.003 3.53 Catalog
237 13191.5690 30.340 c5h6 methylvinylacetylene 13191.5597 -0.009 0.88 Catalog
238 13244.9041 8.677 c5h2o hc4cho 13244.8883 -0.016 1.33 Catalog
239 13309.3573 8.250 c6h4 vinyl diacetylene 13309.3541 -0.003 2.63 Catalog
240 13313.3850 7.704 c5hn hc5n 13313.3337 -0.051 1.33 Catalog
241 13323.4079 45.199 c8h6 phenylacetylene 13323.4061 -0.002 1.35 Catalog
242 13330.8577 17.786 c8h6 phenylacetylene_ve1 13330.8541 -0.004 1.35 Catalog
243 13338.3270 8.533 c8h6 phenylacetylene_ve2 13338.2515 -0.076 1.35 Catalog
244 13355.9920 12.236 c7h6 z_heptenediyne_1 13355.9955 0.004 1.56 Catalog
245 13375.6284 20.036 c10h6 phenyldiacetylene 13375.6309 0.002 3.07 Catalog
246 13388.0830 8.176 c5h2 c5h2_ring-chain 13388.1418 0.059 1.72 Catalog
247 13391.5664 11.308 c6h6o para-c6h6o 13391.6582 0.092 1.29 Catalog
248 13422.2768 134.344 c6h4 vinyl diacetylene 13422.2736 -0.003 1.34 Catalog
249 13444.7494 7.254 c7h5n benzonitrile_ve1 13444.6174 -0.132 1.36 Catalog
250 13468.3431 21.236 c6h6o ortho-c6h6o 13468.3284 -0.015 1.29 Catalog
251 13537.0374 9.573 c6h4 vinyl diacetylene 13537.0339 -0.004 2.66 Catalog
252 13551.9711 105.983 c7h6 2-ethynylfulvene 13551.9681 -0.003 1.13 Catalog
253 13591.6529 59.650 c7h6 1-ethynylfulvene 13591.6507 -0.002 1.14 Catalog
254 13612.1801 61.525 c7h6 fulvenallene 13612.1734 -0.007 1.14 Catalog
255 13624.8469 17.606 c7h6 fulvenallene_ve1 13624.8328 -0.014 1.14 Catalog
256 13632.7257 35.184 c8h6 phenylacetylene 13632.7240 -0.002 1.94 Catalog
257 13640.5363 17.668 c8h6 phenylacetylene_ve1 13640.5423 0.006 1.94 Catalog
258 13657.6709 6.330 c5h4n h2c3hchnh 13657.4889 -0.182 1.98 Catalog
259 13667.8088 17.377 c7h6 2-ethynylfulvene 13667.8175 0.009 2.01 Catalog
260 13697.6102 30.006 c6h6 anti_c6h6 13697.6226 0.012 2.21 Catalog
261 13703.6751 13.046 c7h6 1-ethynylfulvene 13703.6614 -0.014 2.03 Catalog
262 13713.0290 7.276 c6h5n 2_cyanoCPD 13713.0322 0.003 1.15 Catalog
263 13729.8062 11.626 c8h6 phenylacetylene 13729.8304 0.024 2.67 Catalog
264 13732.7564 36.394 c7h6 fulvenallene 13732.7517 -0.005 2.01 Catalog
265 13737.7793 17.018 c8h6 phenylacetylene_ve1 13737.7765 -0.003 2.66 Catalog
266 13743.1374 13.362 c8h6 phenylacetylene 13743.3367 0.199 2.67 Catalog
267 13746.5022 8.499 c7h6 fulvenallene_ve1 13746.3856 -0.117 2.00 Catalog
268 13749.5130 11.891 c6h5n 1_cyanoCPD 13749.5464 0.033 1.15 Catalog
415 13751.3780 6.745 c8h6 phenylacetylene_ve1 13751.3368 -0.041 2.66 Catalog
269 13771.7767 8.302 c5h2 h2c5_cumulene 13771.7550 -0.022 0.92 Catalog
416 13792.8000 9.937 c7h6 z_heptenediyne_1 13792.7554 -0.045 1.87 Catalog
270 13793.6367 18.847 c7h6 2-ethynylfulvene 13793.6163 -0.020 2.02 Catalog
271 13799.9535 14.499 c5h2 h2c5_cumulene 13799.9450 -0.008 10.10 Catalog
272 13808.0119 19.737 c10h6 phenyldiacetylene 13808.0217 0.010 3.40 Catalog
273 13825.2862 15.818 c7h6 1-ethynylfulvene 13825.2890 0.003 2.04 Catalog
274 13863.8237 11.228 c7h5n benzonitrile_ve5 13863.7669 -0.057 2.67 Catalog
275 13865.7245 29.424 c6h6 syn_c6h6 13865.7300 0.006 1.42 Catalog
276 13875.9614 52.861 c6h6 anti_c6h6 13875.9567 -0.005 1.39 Catalog
277 14004.5621 10.801 c6h6 fulvene 14004.6521 0.090 0.87 Catalog
278 14008.3370 11.646 c7h4 methyltriacetylene 14008.3860 0.049 2.34 Catalog
279 14041.2545 36.232 c10h6 phenyldiacetylene 14041.2574 0.003 3.29 Catalog
280 14059.4662 41.297 c6h6 anti_c6h6 14059.4601 -0.006 2.25 Catalog
281 14113.8632 16.834 c6h6o para-c6h6o 14113.8472 -0.016 1.32 Catalog
282 14132.4265 6.768 c7h5n benzonitrile 14132.4398 0.013 1.97 Catalog
283 14158.6877 8.176 c10h6 phenyldiacetylene 14158.7528 0.065 3.99 Catalog
284 14230.4238 13.008 c6h6o ortho-c6h6o 14230.4288 0.005 1.32 Catalog
285 14299.4390 8.168 c10h6 phenyldiacetylene 14299.4577 0.019 4.01 Catalog
286 14317.5427 14.809 c7h6 2-ethynylfulvene 14317.5506 0.008 1.41 Catalog
287 14348.0066 8.515 c7h6 1-ethynylfulvene 14348.0237 0.017 1.42 Catalog
288 14390.7919 40.801 c7h6 fulvenallene 14390.7915 -0.000 1.42 Catalog
289 14398.2580 10.673 c8h6 phenylacetylene 14398.2534 -0.005 1.59 Catalog
290 14461.5199 124.593 c6h6 syn_c6h6 14461.5176 -0.002 1.21 Catalog
291 14583.8947 10.477 c6h6o para-c6h6o 14583.9092 0.014 1.08 Catalog
292 14600.1936 26.663 c3h c_c3h_radical_ve2 14600.2024 0.009 0.00 Line file
293 14602.3851 8.248 c3h c_c3h_radical_ve2 14602.4582 0.073 0.00 Line file
294 14609.1768 8.178 c6h4 ethynylpentene 14609.0385 -0.138 2.19 Catalog
295 14676.1169 53.655 c6h6o ortho-c6h6o 14676.1045 -0.012 1.08 Catalog
296 14678.4037 12.900 c6h6 syn_c6h6 14678.4154 0.012 2.26 Catalog
297 14686.6310 101.573 c3h c-c3h 14686.6246 -0.006 1.13 Catalog
298 14689.7091 26.148 c3h c-c3h 14689.7049 -0.004 1.13 Catalog
299 14697.6718 17.927 c3h c-c3h 14697.6820 0.010 1.13 Catalog
300 14714.4994 10.041 c3h c_c3h_radical_ve1 14714.4880 -0.011 0.00 Line file
301 14750.2860 18.323 c6h4 ethynylbutene 14750.2943 0.008 1.48 Catalog
302 14752.1749 6.615 c3h c-c3h 14752.2894 0.114 1.13 Catalog
303 14753.9998 54.361 c6h4 o-benzyne 14754.0083 0.008 0.83 Catalog
304 14755.3736 27.399 c3h c-c3h 14755.3696 -0.004 1.13 Catalog
305 14758.8350 26.445 c7h4 allene_diacetylene 14758.8377 0.003 2.22 Catalog
306 14762.3677 20.980 c6h4 ethynylbutene 14762.3742 0.007 3.83 Catalog
307 14767.6527 30.770 c3h c-c3h 14767.6663 0.014 1.13 Catalog
308 14780.7485 11.562 c5h4 ethynylallene 14780.7352 -0.013 1.77 Catalog
309 14812.0253 6.144 c3h c-c3h 14812.0138 -0.011 1.14 Catalog
310 14829.6278 23.764 c3h c-c3h 14829.5901 -0.038 1.14 Catalog
311 14840.6356 26.026 c3h c-c3h 14840.6474 0.012 1.14 Catalog
312 14865.3576 9.209 c7h c7h 14865.3898 0.032 2.33 Catalog
313 14877.5821 6.946 c3h c-c3h 14877.6785 0.096 1.14 Catalog
314 14893.0348 123.718 c3h c-c3h 14893.0554 0.021 1.14 Catalog
315 14895.2016 69.313 c3h c-c3h 14895.2548 0.053 1.14 Catalog
316 14905.3160 6.529 c3h c_c3h_radical_ve1 14905.2567 -0.059 0.00 Line file
317 14910.6134 34.967 c3h c-c3h 14910.6317 0.018 1.14 Catalog
318 14918.7546 53.155 c3h c_c3h_radical_ve1 14918.7579 0.003 0.00 Line file
417 14919.5550 17.971 c3h c_c3h_radical_ve1 14919.5730 0.018 0.00 Line file
319 15081.4100 163.877 c5h4 ethynylallene 15081.4104 0.000 1.01 Catalog
320 15099.2932 10.714 c10h6 phenyldiacetylene 15099.2166 -0.077 3.80 Catalog
321 15237.4472 20.548 c6h6 syn_c6h6 15237.4453 -0.002 1.53 Catalog
322 15243.6184 7.394 c10h6 phenyldiacetylene 15243.6809 0.063 4.50 Catalog
418 15248.1770 13.216 c6h c6h 15248.2450 0.068 0.34 Catalog
419 15249.0670 15.414 c6h c6h 15249.0841 0.017 0.34 Catalog
323 15304.3504 49.482 c8h6 phenylacetylene 15304.3527 0.002 1.94 Catalog
324 15314.7190 38.003 c8h6 phenylacetylene_ve1 15314.7124 -0.007 1.94 Catalog
325 15392.0806 49.911 c5h4 ethynylallene 15392.0763 -0.004 1.81 Catalog
326 15424.6352 6.371 c3h c_c3h_radical_ve3 15424.6423 0.007 0.00 Line file
327 15433.8919 6.352 c7h5n benzonitrile 15433.9675 0.076 1.95 Catalog
328 15443.9842 15.768 c7h5n benzonitrile_ve1 15444.0049 0.021 1.95 Catalog
329 15486.3052 8.543 c4h3n cyanoallene 15486.3010 -0.004 1.03 Catalog
420 15557.6000 6.572 c7h6 z_heptenediyne_1 15557.5408 -0.059 2.08 Catalog
330 15564.7877 17.207 c7h4 methyltriacetylene 15564.8655 0.078 2.86 Catalog
331 15590.8444 6.287 c10h6 phenyldiacetylene 15590.6880 -0.156 4.08 Catalog
332 15762.1679 73.361 c6h6o para-c6h6o 15762.1681 0.000 1.43 Catalog
333 15814.1508 18.959 c6h6o ortho-c6h6o 15814.1946 0.044 1.43 Catalog
334 15822.5767 25.618 c8h6 phenylacetylene 15822.5683 -0.008 1.88 Catalog
335 15831.4251 11.818 c8h6 phenylacetylene_ve1 15831.4172 -0.008 1.88 Catalog
336 15834.6284 14.091 c3h c_c3h_radical_ve3 15834.6653 0.037 0.00 Line file
337 15893.8817 6.375 c5h2o hc4cho 15893.6752 -0.207 1.86 Catalog
338 15920.7187 7.610 c10h6 phenyldiacetylene 15920.7233 0.005 4.43 Catalog
339 15931.7391 117.880 c3h2 cyclopropenylidene_4v6 15931.7423 0.003 0.00 Line file
340 15951.9316 17.716 c7h5n benzonitrile 15951.9368 0.005 1.89 Catalog
341 15971.2872 6.617 c6h4 vinyl diacetylene 15971.0931 -0.194 3.17 Catalog
342 15975.9794 11.837 c5hn hc5n 15975.9825 0.003 1.87 Catalog
343 16106.2669 41.246 c6h4 vinyl diacetylene 16106.2639 -0.003 1.88 Catalog
344 16212.1180 18.826 c7h6 2-ethynylfulvene 16212.1177 -0.000 1.84 Catalog
345 16250.0002 289.346 Artifact 16250.0000 -0.000 0.00 Artifact
346 16280.4485 15.508 c7h6 fulvenallene 16280.4657 0.017 1.85 Catalog
347 16285.9303 15.971 c5h4 methyldiacetylene 16285.9569 0.027 1.36 Catalog
348 16296.6034 57.764 c3h2 cyclopropenylidene_3v6 16296.6072 0.004 0.00 Line file
349 16300.4258 27.934 c6h6o para-c6h6o 16300.4222 -0.004 1.41 Catalog
350 16307.0489 6.310 c5h4 methyldiacetylene_1v12 16306.9101 -0.139 1.36 Catalog
351 16309.6582 11.523 c5h4 methyldiacetylene_ve2 16309.6045 -0.054 0.00 Line file
352 16312.7037 9.518 c5h4 methyldiacetylene_1v12 16312.7278 0.024 1.36 Catalog
353 16331.4291 38.524 c6h6o ortho-c6h6o 16331.4332 0.004 1.41 Catalog
354 16436.6956 10.588 c6h6 anti_c6h6 16436.6989 0.003 2.76 Catalog
355 16464.6498 10.909 c5h2 c5h2_bent-chain 16464.5923 -0.057 1.10 Catalog
356 16649.4070 44.459 c6h6 anti_c6h6 16649.4117 0.005 1.94 Catalog
421 16706.7600 70.758 c5h c5h 16706.7192 -0.041 1.27 Catalog
422 16707.4700 49.851 c5h c5h 16707.4746 0.005 1.27 Catalog
423 16710.6700 70.437 c5h c5h 16710.6171 -0.053 1.27 Catalog
424 16711.4700 48.401 c5h c5h 16711.5085 0.038 1.27 Catalog
357 16828.2189 152.296 c3h2 cyclopropenylidene_2v6 16828.2152 -0.004 0.00 Line file
358 16848.8062 56.071 c7h6 2-ethynylfulvene 16848.7994 -0.007 1.70 Catalog
359 16870.8814 14.618 c6h6 anti_c6h6 16870.8884 0.007 2.81 Catalog
360 16899.1810 9.082 c6h3n cyanoacetylenallene 16898.9936 -0.187 6.20 Catalog
361 16901.0487 8.899 c7h6 1-ethynylfulvene 16901.2784 0.230 1.70 Catalog
362 16910.7327 22.006 c8h6 phenylacetylene 16910.7368 0.004 2.53 Catalog
363 16920.4962 53.143 c7h6 fulvenallene 16920.4993 0.003 1.70 Catalog
364 16979.0571 8.174 c3h2 c_hc13cch 16978.9774 -0.080 0.00 Line file
365 17029.6090 6.545 c4h6o trans-crotonaldehyde 17029.3670 -0.242 5.49 Catalog
366 17091.7448 140.718 c3h4 methylacetylene 17091.7420 -0.003 0.57 Catalog
367 17102.1031 31.470 c3h4 methylacetylene_1v9 17102.0765 -0.027 0.57 Catalog
368 17217.2285 8.154 c8h6 phenylacetylene 17217.3076 0.079 2.16 Catalog
369 17273.3396 55.049 c3h2 cyclopropenylidene_1v5+1v6 17273.3365 -0.003 0.00 Line file
370 17407.8447 10.354 c7h6 fulvenallene 17407.7730 -0.072 2.60 Catalog
371 17435.8164 9.320 c3h2 cyclopropenylidene_1v6 17435.7694 -0.047 0.00 Line file
372 17788.5725 24.080 c4h2 h2c4_cumulene 17788.5692 -0.003 10.29 Catalog
373 17863.8062 19.141 c4h2 h2c4_cumulene 17863.8009 -0.005 0.89 Catalog
374 17871.1385 7.392 c7h6 2-ethynylfulvene 17871.0543 -0.084 2.01 Catalog
375 17937.9663 15.122 c4h2 h2c4_cumulene 17937.9555 -0.011 10.30 Catalog
376 17961.5549 6.619 c7h6 fulvenallene 17961.4702 -0.085 2.02 Catalog
377 18139.1978 6.306 c3ho hc3o 18139.1484 -0.049 0.91 Catalog
378 18146.5455 25.107 c4h4 vinyl_acetylene 18146.5471 0.002 0.91 Catalog
379 18241.7250 33.745 c3h2 cyclopropenylidene_1v3 18241.7207 -0.004 0.00 Line file
380 18260.9776 25.549 c3h2 cyclopropenylidene_1v2 18260.9810 0.003 0.00 Line file
381 18323.9989 12.698 c5h2 h2c5_cumulene 18324.0000 0.001 10.71 Catalog
382 18343.1493 499.347 c3h2 cyclopropenylidene_gs 18343.1450 -0.004 0.00 Line file
383 18413.8427 9.097 c3h2 c_h13ccch 18413.8000 -0.043 0.00 Line file
384 18425.9354 6.628 c4hn hc4n_lc 18426.1726 0.237 1.84 Catalog
385 18650.3060 35.977 c3h2o hcccho 18650.3089 0.003 0.93 Catalog
386 18883.1358 7.528 c5h6o c5h6o_b1 18882.9233 -0.212 2.62 Catalog
387 19015.1389 12.021 c4h c4h 19015.1430 0.004 0.95 Catalog
388 19044.8875 6.850 c4h c4h 19044.7600 -0.127 0.95 Catalog
389 19054.4787 22.427 c4h c4h 19054.4760 -0.003 0.95 Catalog
390 19150.5531 6.115 c6h6o para-c6h6o 19150.5198 -0.033 1.72 Catalog
391 19243.5122 16.573 c3o c3o 19243.5206 0.008 0.96 Catalog
392 19252.2451 13.238 c6h6o ortho-c6h6o 19252.2588 0.014 1.72 Catalog
393 19254.7234 6.002 c6h6o para-c6h6o 19254.6448 -0.079 1.96 Catalog
394 19418.0560 15.917 c6h6o ortho-c6h6o 19418.0631 0.007 1.97 Catalog
395 19421.9407 14.821 c6h6 anti_c6h6 19421.9204 -0.020 2.59 Catalog
396 19424.1079 10.493 c7h6 2-ethynylfulvene 19424.1029 -0.005 2.49 Catalog
397 19606.2644 9.590 c5h2 c5h2_ring-chain 19606.2520 -0.012 1.31 Catalog
398 19800.2372 6.719 c6h6o para-c6h6o 19800.2606 0.023 2.07 Catalog

Unidentified lines

Frequency Intensity
0 6487.9781 6.30
1 6848.3729 6.04
2 7570.2382 7.62
3 7852.1209 7.07
4 8556.0491 7.23
5 8614.5037 6.34
6 8837.5120 7.40
7 9049.9900 9.87
8 9277.0364 6.06
9 9360.6628 7.01
10 9423.9726 8.36
11 9452.4093 6.80
12 9537.2763 6.12
13 9846.1749 9.64
14 9913.9593 6.58
15 10091.8047 6.84
16 10117.4575 12.79
17 10237.4738 6.18
18 10320.6017 6.09
19 10438.4094 6.31
20 10484.3694 6.87
21 10655.7125 6.61
22 11026.5276 9.12
23 11381.5190 6.74
24 11425.2409 6.36
25 11751.0607 6.61
26 12130.5440 12.55
27 12465.9162 6.36
28 13200.2036 7.99
29 13256.7987 6.07
30 13565.1180 6.73
31 14329.4992 6.26
32 14760.5589 8.70
33 14770.6937 8.55
34 15024.0537 6.02
35 15076.6393 8.36
36 16157.1639 6.38
37 16675.1227 15.67
38 17016.2409 15.29
39 17052.4168 9.97
40 17240.4812 8.08
41 17363.6220 6.09
42 17480.8202 6.25
43 18931.4039 7.42
44 19390.4849 6.30
45 19660.0990 6.05
46 19749.2269 6.07
47 19845.1759 6.07
48 11454.8440 7.22
49 11547.5550 7.49
50 11561.5100 7.72
51 11940.0000 6.04
52 13558.4000 7.47
53 13609.0700 6.09
54 14839.6400 6.49
55 16581.0700 7.55
56 17115.0200 9.31